6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile

C7H3F2IN2O — CID 130076426

IUPAC6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(I)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H3F2IN2O/c8-6(9)5-4(10)1-3(2-11)7(13)12-5/h1,6H,(H,12,13)
InChIKeyKDDILAADAUYASD-UHFFFAOYSA-N
MW296.01 g/mol
LogP1.79
Rot. Bonds1

About 6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile

6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130076426) has the molecular formula C7H3F2IN2O and a molecular weight of 296.01 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID130076426
Molecular FormulaC7H3F2IN2O
Molecular Weight296.01 g/mol
Exact Mass295.93
IUPAC Name6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(I)c(C(F)F)[nH]c1=O
InChIInChI=1S/C7H3F2IN2O/c8-6(9)5-4(10)1-3(2-11)7(13)12-5/h1,6H,(H,12,13)
InChIKeyKDDILAADAUYASD-UHFFFAOYSA-N
XLogP1.79
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.01
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130070948
6-(difluoromethyl)-3-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 130082788
6-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 118815822
6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118837355
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile
CID 130076424
6-(difluoromethyl)-3-iodo-5-methyl-1H-pyridin-2-one
CID 118837451
3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 130103220
5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130076809
7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 165460779
2-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118832066
6-(difluoromethyl)-5-fluoro-4-iodo-1H-pyridin-2-one
CID 118826088
4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118811331

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile (CID 130076426) is 6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1cc(I)c(C(F)F)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is KDDILAADAUYASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2IN2O/c8-6(9)5-4(10)1-3(2-11)7(13)12-5/h1,6H,(H,12,13).
What are the key properties of 6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile?
6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 296.01 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130076426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).